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Isopyrin
SpectraBase Compound ID HBtD5MENWtV
InChI InChI=1S/C14H19N3O/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12/h5-10,15H,1-4H3
InChIKey XOZLRRYPUKAKMU-UHFFFAOYSA-N
Mol Weight 245.33 g/mol
Molecular Formula C14H19N3O
Exact Mass 245.152812 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID C0PZBlG8IH8
Name Ramifenazone ##
CAS Registry Number 3615-24-5
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-270.00]
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Formula C14H19N3O
InChI InChI=1S/C14H19N3O/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12/h5-10,15H,1-4H3
InChIKey XOZLRRYPUKAKMU-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(C=1C(N(N(C1C)C)C=1C=CC=CC1)=O)C(C)C
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD